5-bromo-N,N-dimethylpyridine-3-carboxamide

C8H9BrN2O — CID 23437049

IUPAC5-bromo-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cncc(Br)c1
InChIInChI=1S/C8H9BrN2O/c1-11(2)8(12)6-3-7(9)5-10-4-6/h3-5H,1-2H3
InChIKeyNHTSTHBGCFFUMF-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.55
Rot. Bonds1

About 5-bromo-N,N-dimethylpyridine-3-carboxamide

5-bromo-N,N-dimethylpyridine-3-carboxamide (PubChem CID 23437049) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 5-bromo-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dimethylpyridine-3-carboxamide
PubChem CID23437049
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name5-bromo-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cncc(Br)c1
InChIInChI=1S/C8H9BrN2O/c1-11(2)8(12)6-3-7(9)5-10-4-6/h3-5H,1-2H3
InChIKeyNHTSTHBGCFFUMF-UHFFFAOYSA-N
XLogP1.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N,N-dimethylpyridine-3-carboxamide (CID 23437049) is 5-bromo-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is NHTSTHBGCFFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-11(2)8(12)6-3-7(9)5-10-4-6/h3-5H,1-2H3.
What are the key properties of 5-bromo-N,N-dimethylpyridine-3-carboxamide?
5-bromo-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 229.08 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 23437049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).